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Found 84 results

Search term: DATA_SOURCE in ('Shoichet Laboratory')
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13710
InChI=1/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
C10H11NO4209.1986151170114
86349

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)
C11H13NO4223.225211812102
72724

InChI=1/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
C9H7NO2S2225.28741068310
68506

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
C11H13NO5239.2246101102013
114180
InChI=1/C10H11NO4/c1-15-8-4-2-7(3-5-8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
C10H11NO4209.1986967600
63547
InChI=1/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
C10H12N2O3208.2139947203
2057565

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14)
C10H11NO4209.19864935300
88282

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO4S/c1-19-8-7-11(12(15)16)14-13(17)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17)(H,15,16)
C13H17NO4S283.3434928301
16594
InChI=1/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
C9H8N2O5224.1702897401
194221
InChI=1/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
C12H14O3206.2378866603
2039591
InChI=1/C12H12O5/c13-9(2-4-12(14)15)8-1-3-10-11(7-8)17-6-5-16-10/h1,3,7H,2,4-6H2,(H,14,15)
C12H12O5236.22068865300
179927

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H15NO3/c15-12-8-11(13(16)17)9-14(12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
C13H15NO3233.2631846400
2020824

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H12ClNO3/c13-10-4-2-1-3-8(10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)
C12H12ClNO3253.68158805900
260755

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)
C12H15NO3S253.3174767702
633080
InChI=1/C12H8ClNO2S/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
C12H8ClNO2S265.7154725300
10467539

Double-bond stereo
InChI=1/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)/b19-18+
C17H14N2O5S358.36856711302
218094

InChI=1/C14H10N4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)(H,17,18)
C14H10N4234.256616911
451940
InChI=1/C13H12O2S/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)
C13H12O2S232.2982564000
141843
InChI=1/C9H9NO5/c11-5-1-2-7(12)6(3-5)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
C9H9NO5211.1715545600
629279
InChI=1/C10H10N2O2S/c13-9(14)5-6-15-10-11-7-3-1-2-4-8(7)12-10/h1-4H,5-6H2,(H,11,12)(H,13,14)
C10H10N2O2S222.2636523600
12345

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